CID 52988141

693286-55-4

Structural Information

Molecular Formula
C10H15BO2
SMILES
B(C1=C(C=CC=C1C(C)C)C)(O)O
InChI
InChI=1S/C10H15BO2/c1-7(2)9-6-4-5-8(3)10(9)11(12)13/h4-7,12-13H,1-3H3
InChIKey
PJYHJOUTVMAXLG-UHFFFAOYSA-N
Compound name
(2-methyl-6-propan-2-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

178.11652 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.123796 138.1
[M+Na]+ 201.105738 145.2
[M-H]- 177.109244 139.5
[M+NH4]+ 196.150343 157.4
[M+K]+ 217.079678 143.2
[M+H-H2O]+ 161.113780 133.2
[M+HCOO]- 223.114721 157.6
[M+CH3COO]- 237.130371 179.6
[M+Na-2H]- 199.091186 140.6
[M]+ 178.11597142 137.4
[M]- 178.11706858 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe